Hybrid computations using continuum and molecular dynamics for micro-fluidics

IMECH-IR > 力学所知识产出(1956-2008)

	Hybrid computations using continuum and molecular dynamics for micro-fluidics
	Cui J; He GW(何国威); He, GW (reprint author), CAS, Inst Mech, LNM, Beijing 100864, Peoples R China.
会议录名称	2006 1st IEEE International Conference on Nano/Micro Engineered and Molecular Systems, Vols 1-3
	2006
会议名称	IEEE International Conference of Nano/Micro Engineered and Molecular Systems
会议日期	JAN 18-21, 2006
会议地点	Zhuhai, PEOPLES R CHINA
摘要	A hybrid numerical method of particle-continuum dynamics designed for micro-fluidics is being developed which solves the Navier-Stokes equations in one domain, where the continuum description is still valid, and uses the molecular dynamics in another domain where the continuum description fails. The matching of these two descriptions can be achieved by a constrained particle dynamics in the overlap region, which exchanges the information between the molecular dynamics and the Navier-Stokes equations. However, the existing models for the constraint particle dynamics often have the empirical parameters such as the coupling parameter, the size of overlap domain and the ratio of the time steps for the molecular dynamics and the Navier-Stokes equation. In this paper, we develop a dynamic Langevin equation, and the coupling parameters in the models can be determined by the velocity consistent constraint. The dynamic scheme is used to simulate the sudden-start Couette flows with either slip or no-slip boundary conditions. The results obtained are quantitatively in agreement with the analytical solutions under the no-slip boundary condition and the full MD simulations under the certain slip boundary conditions. This agreement demonstrates the validity of the dynamic Langevin equation.
WOS记录号	WOS:000248485802106
ISBN号	978-1-4244-0139-0
URL	查看原文
收录类别	CPCI-S
语种	英语
引用统计
文献类型	会议论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/58900
专题	力学所知识产出(1956-2008)
通讯作者	He, GW (reprint author), CAS, Inst Mech, LNM, Beijing 100864, Peoples R China.
推荐引用方式 GB/T 7714	Cui J,He GW,He, GW . Hybrid computations using continuum and molecular dynamics for micro-fluidics[C]2006 1st IEEE International Conference on Nano/Micro Engineered and Molecular Systems, Vols 1-3,2006.

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